methyl 2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(4-methyl-2-pyrimidin-2-yl-thiazole-5-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[[4-methyl-2-(2-pyrimidinyl)-5-thiazolyl]-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[4-methyl-2-(2-pyrimidyl)thiazole-5-carbonyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C21H21N5O4S/c1-13-17(31-20(24-13)18-22-6-3-7-23-18)19(27)25-16-5-4-14(12-15(16)21(28)29-2)26-8-10-30-11-9-26/h3-7,12H,8-11H2,1-2H3,(H,25,27)